2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline

C15H19FN4 — CID 59527668

IUPAC2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline
SMILESCC1CN(c2ncc3cc(F)ccc3n2)CCNC1C
InChIInChI=1S/C15H19FN4/c1-10-9-20(6-5-17-11(10)2)15-18-8-12-7-13(16)3-4-14(12)19-15/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
InChIKeyTZQWQNHJTVAMCX-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.20
Rot. Bonds1

About 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline

2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline (PubChem CID 59527668) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline
PubChem CID59527668
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline
SMILESCC1CN(c2ncc3cc(F)ccc3n2)CCNC1C
InChIInChI=1S/C15H19FN4/c1-10-9-20(6-5-17-11(10)2)15-18-8-12-7-13(16)3-4-14(12)19-15/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
InChIKeyTZQWQNHJTVAMCX-UHFFFAOYSA-N
XLogP2.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline?
The IUPAC name of 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline (CID 59527668) is 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline?
The canonical SMILES for 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline is CC1CN(c2ncc3cc(F)ccc3n2)CCNC1C.
What is the InChIKey of 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline?
The InChIKey is TZQWQNHJTVAMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-10-9-20(6-5-17-11(10)2)15-18-8-12-7-13(16)3-4-14(12)19-15/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3.
What are the key properties of 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline?
2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline has a molecular weight of 274.34 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline is sourced from PubChem (CID 59527668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).